Chemical ID: 4523677

Cc1ccc(cc1)c2coc3c2cc4ccc(=O)oc4c3
Chemical ID:
4523677
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2coc3c2cc4ccc(=O)oc4c3
InChi [?]:
InChI=1/C18H12O3/c1-11-2-4-12(5-3-11)15-10-20-17-9-16-13(8-14(15)17)6-7-18(19)21-16/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,15,16,13,21,9,2,5,14,12,8,20,11,17,18,10,19/E:(2,3)(4,5)/rA:21nCCCCCCCCCOCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8s11;d12;s13;s14;d15;s16;d17;s17;d14s19;d11s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.33243
Area:457.614
Solvation:-3.10793
Coulombic:-26.9604
Bond Count [?]
All:24
Single:15
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:276.286
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.11
LogP (Chemaxon):4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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